Chemical ID: 4690860

c1cc(sc1)C(=CNc2ccc(cc2)C(=O)O)C#N
Chemical ID:
4690860
Name [?]:
4-[2-cyano-2-(2-thienyl)vinyl]aminobenzoic acid
SMILES [?]:
c1cc(sc1)C(=CNc2ccc(cc2)C(=O)O)C#N
InChi [?]:
InChI=1/C14H10N2O2S/c15-8-11(13-2-1-7-19-13)9-16-12-5-3-10(4-6-12)14(17)18/h1-7,9,16H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,11,13,10,14,5,18,7,12,6,9,3,15,19,8,16,17,4/E:(3,4)(5,6)(17,18)/rA:19nCCCSCCCNCCCCCCCOOCN/rB:s1;d2;s3;d1s4;s3;w6;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s6;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10N2O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.53308
Area:481.049
Solvation:-2.49314
Coulombic:-43.3732
Bond Count [?]
All:20
Single:12
Double:7
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:270.307
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.53
LogP (Chemaxon):2.43

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Descriptor Annotations

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